9EGF

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with TO-589

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	75.370, 91.820, 96.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.562 - 1.250
R-factor	0.2009
Rwork	0.200
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.843
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.820	1.270
High resolution limit [Å]	1.250	1.250
Rmerge	0.144	1.764
Rmeas	0.158	2.003
Rpim	0.062	0.924
Total number of observations	1080979	22955
Number of reflections	169926	5124
<I/σ(I)>	8.5	0.8
Completeness [%]	91.8
Redundancy	6.4	4.5
CC(1/2)	0.996	0.304

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	19% PEG 4K, 0.2M NH4 Acet., 0.1M Na Citrate 58